Information card for entry 7232838

Structure parameters

• Formula: C6 H14 N18 O4
• Calculated formula: C6 H14 N18 O4
• Title of publication: From BTO2− to HBTO− insensitive energetic salt: a route to boost energy
• Authors of publication: Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 25
• Pages of publication: 3873
• a: 8.9135 ± 0.0017 Å
• b: 14.392 ± 0.003 Å
• c: 6.7544 ± 0.0014 Å
• α: 90°
• β: 110.499 ± 0.004°
• γ: 90°
• Cell volume: 811.6 ± 0.3 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No